N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H17BrClFN2S — CID 106352329

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2c(Cl)cc(F)cc2Br)=N1
InChIInChI=1S/C14H17BrClFN2S/c1-14(2,3)11-4-5-20-13(18-11)19-12-9(15)6-8(17)7-10(12)16/h6-7,11H,4-5H2,1-3H3,(H,18,19)
InChIKeyVPDLMFXZFUXFBB-UHFFFAOYSA-N
MW379.73 g/mol
LogP5.56
Rot. Bonds1

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352329) has the molecular formula C14H17BrClFN2S and a molecular weight of 379.73 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352329
Molecular FormulaC14H17BrClFN2S
Molecular Weight379.73 g/mol
Exact Mass378.00
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(Nc2c(Cl)cc(F)cc2Br)=N1
InChIInChI=1S/C14H17BrClFN2S/c1-14(2,3)11-4-5-20-13(18-11)19-12-9(15)6-8(17)7-10(12)16/h6-7,11H,4-5H2,1-3H3,(H,18,19)
InChIKeyVPDLMFXZFUXFBB-UHFFFAOYSA-N
XLogP5.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.73
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352329) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)(C)C1CCSC(Nc2c(Cl)cc(F)cc2Br)=N1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is VPDLMFXZFUXFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFN2S/c1-14(2,3)11-4-5-20-13(18-11)19-12-9(15)6-8(17)7-10(12)16/h6-7,11H,4-5H2,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 379.73 g/mol, XLogP of 5.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).